(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate

C11H13NO4 — CID 2556255

IUPAC(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-15-9-4-2-8(3-5-9)6-11(14)16-7-10(12)13/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyXJIVJPMJYWKHHA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.27
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate

(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate (PubChem CID 2556255) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate
PubChem CID2556255
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-15-9-4-2-8(3-5-9)6-11(14)16-7-10(12)13/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyXJIVJPMJYWKHHA-UHFFFAOYSA-N
XLogP0.27
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)acetamide
CID 241868
4-Butoxybenzeneacetamide
CID 76952
Methyl 4-methoxyphenylacetate
CID 90266
Ethyl 4-methoxyphenylacetate
CID 84174
3-(4-Methoxyphenyl)-2-oxopropanoic acid
CID 578473
Methyl 3-(4-methoxyphenyl)-2-oxopropanoate
CID 89159
Ethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 2758864
2-(4-Formylphenoxy)acetamide
CID 601630
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
4-Benzyloxybenzene-acetamide
CID 18781557
2-[4-(3-Methylbutoxy)phenyl]acetamide
CID 44371699
Methyl 3-(4-methoxyphenyl)propanoate
CID 300018

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate (CID 2556255) is (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate?
The InChIKey is XJIVJPMJYWKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-4-2-8(3-5-9)6-11(14)16-7-10(12)13/h2-5H,6-7H2,1H3,(H2,12,13).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate?
(2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate has a molecular weight of 223.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2556255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).